Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY5R | Q15761 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL30503476 | 0.84 | CTSK (0.43) | NPY5RHDAC1MAPTCA12CA1 | |
| SCHEMBL8992582 | 0.84 | RAB9A (0.58) | ALDH1A1MAPTHTTCA12CA1 | |
| SCHEMBL8992651 | 0.83 | RAB9A (0.47) | NPY5RALDH1A1HDAC1MAPTRAB9A | |
| Methylamine SCHEMBL8548886 | 0.83 | L3MBTL1 (0.40) | NPY5RHDAC1CA12CA1L3MBTL1 | |
| SCHEMBL5711898 | 0.82 | L3MBTL1 (0.45) | ALDH1A1HDAC1HTTCA12CA1 | |
| SCHEMBL8129548 | 0.82 | RAB9A (0.45) | NPY5RALDH1A1HDAC1MAPTRAB9A | |
| SCHEMBL5526270 | 0.81 | CTSS (0.57) | CTSSCTSK | |
| SCHEMBL6274443 | 0.81 | L3MBTL1 (0.44) | HDAC1HTTCA12CA1NPC1 | |
| SCHEMBL8705243 | 0.81 | LPAR1 (0.42) | ALDH1A1HTTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL22309556 | 0.78 | ESRRG (0.44) | ALDH1A1HDAC1MAPTNPC1RAB9A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0719251-A1 | BICYCLO (2.2.2) OCTANE DERIVATIVES CHOLECYSTOKININ AND/OR GASTRIN ANTAGONISTS | JAMES BLACK FOUNDATION LIMITED (GB) | 1996-07-03 | — | — | EP | disclosed |
| WO-1995005359-A1 | BICYCLO (2.2.2) OCTANE DERIVATIVES CHOLECYSTOKININ AND/OR GASTRIN ANTAGONISTS | JAMES BLACK FOUNDATION LIMITED (GB) | 1995-02-23 | — | — | WO | disclosed |